3-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[4-(3-methoxyphenyl)-1-piperazinyl]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[4-(3-methoxyphenyl)piperazino]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H26N4O4/c1-16-6-7-18(25(27)28)15-20(16)22-21(26)8-9-23-10-12-24(13-11-23)17-4-3-5-19(14-17)29-2/h3-7,14-15H,8-13H2,1-2H3,(H,22,26)